pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.97	Datawarrior	1	0	C(=C/c1cc[nH+]cc1)\c1ccccc1	C(=C/c1ccncc1)\c1ccccc1	mol3788	C(=C/c1ccncc1)\c1ccccc1
5.88000011444092	QSARToolbox	1	0	C(=C/c1cc[nH+]cc1)\c1ccccc1	C(=C/c1ccncc1)\c1ccccc1	mol3788	C(=C/c1ccncc1)\c1ccccc1
5.96999979019165	QSARToolbox	1	0	C(=C/c1cc[nH+]cc1)\c1ccccc1	C(=C/c1ccncc1)\c1ccccc1	mol3788	C(=C/c1ccncc1)\c1ccccc1